Chemical Compound

(2S)-1-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-(2-{2-[(2S)-2-[(2S)-2-{[(3S,6S,9S,12S,15S,18S,25S,30aS)-15-(3-carbamimidamidopropyl)-9-(carboxymethyl)-12,25-bis[(4-hydroxyphenyl)methyl]-3,6-bis[(1H-indol-3-yl)methyl]-1,4,7,10,13,16,20,23,26-nonaoxo-triacontahydropyrrolo[1,2-g]1,4,7,10,13,16,19,22,25-nonaazacyclooctacosan-18-yl]formamido}-4-methylpentanamido]-3-phenylpropanamido]acetamido}acetamido)-3-(1H-imidazol-4-yl)propanamido]-3-hydroxybutanamido]-3-phenylpropanamido]-3-methylpentanamido]-3-hydroxypropanoyl]pyrrolidine-2-carboxylic acid

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(2S)-1-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-(2-{2-[(2S)-2-[(2S)-2-{[(3S,6S,9S,12S,15S,18S,25S,30aS)-15-(3-carbamimidamidopropyl)-9-(carboxymethyl)-12,25-bis[(4-hydroxyphenyl)methyl]-3,6-bis[(1H-indol-3-yl)methyl]-1,4,7,10,13,16,20,23,26-nonaoxo-triacontahydropyrrolo[1,2-g]1,4,7,10,13,16,19,22,25-nonaazacyclooctacosan-18-yl]formamido}-4-methylpentanamido]-3-phenylpropanamido]acetamido}acetamido)-3-(1H-imidazol-4-yl)propanamido]-3-hydroxybutanamido]-3-phenylpropanamido]-3-methylpentanamido]-3-hydroxypropanoyl]pyrrolidine-2-carboxylic acid 结构式
Primary record

(2S)-1-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-(2-{2-[(2S)-2-[(2S)-2-{[(3S,6S,9S,12S,15S,18S,25S,30aS)-15-(3-carbamimidamidopropyl)-9-(carboxymethyl)-12,25-bis[(4-hydroxyphenyl)methyl]-3,6-bis[(1H-indol-3-yl)methyl]-1,4,7,10,13,16,20,23,26-nonaoxo-triacontahydropyrrolo[1,2-g]1,4,7,10,13,16,19,22,25-nonaazacyclooctacosan-18-yl]formamido}-4-methylpentanamido]-3-phenylpropanamido]acetamido}acetamido)-3-(1H-imidazol-4-yl)propanamido]-3-hydroxybutanamido]-3-phenylpropanamido]-3-methylpentanamido]-3-hydroxypropanoyl]pyrrolidine-2-carboxylic acid

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
177587351
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)O)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC3=CNC=N3)NC(=O)CNC(=O)CNC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CC(C)C)NC(=O)C5CC(=O)NCC(=O)NC(C(=O)N6CCC[C@H]6C(=O)NC(C(=O)N[C@H](C(=O)NC(C(=O)N[C@H](C(=O)N[C@H](C(=O)N5)CCCNC(=N)N)CC7=CC=C(C=C7)O)CC(=O)O)CC8=CNC9=CC=CC=C98)CC1=CNC2=CC=CC=C21)CC1=CC=C(C=C1)O
Canonical SMILES
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C1CC(=O)NCC(=O)NC(Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NC(CC(=O)O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)O

名称与同义词

  • propeptin
  • J942.944A
  • (2S)-1-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-(2-{2-[(2S)-2-[(2S)-2-{[(3S,6S,9S,12S,15S,18S,25S,30aS)-15-(3-carbamimidamidopropyl)-9-(carboxymethyl)-12,25-bis[(4-hydroxyphenyl)methyl]-3,6-bis[(1H-indol-3-yl)methyl]-1,4,7,10,13,16,20,23,26-nonaoxo-triacontahydropyrrolo[1,2-g]1,4,7,10,13,16,19,22,25-nonaazacyclooctacosan-18-yl]formamido}-4-methylpentanamido]-3-phenylpropanamido]acetamido}acetamido)-3-(1H-imidazol-4-yl)propanamido]-3-hydroxybutanamido]-3-phenylpropanamido]-3-methylpentanamido]-3-hydroxypropanoyl]pyrrolidine-2-carboxylic acid
  • Cyclo[Gly-L-Tyr-L-Pro-L-Trp-L-Trp-L-Asp-L-Tyr-Arg-L-betaalphaAsp-(L-Leu-L-Phe-Gly-Gly-L-His-L-Thr-L-Phe-L-Ile-L-Ser-L-Pro-OH)]
  • Cyclo[Gly-L-Tyr-L-Pro-L-Trp-L-Trp-L-Asp-L-Tyr-L-Arg-[(3S)-3-[N-[(1S,4S,13S,16S,19S,22S,25S)-4,19-dibenzyl-25-[[(2S)-2-carboxypyrrolidino]carbonyl]-26-hydroxy-16-[(1R)-1-hydroxyethyl]-13-(1H-imidazole-4-ylmethyl)-1-isobutyl-22-[(S)-1-methylpropyl]-2,5,8,11,14,17,20,23-octaoxo-3,6,9,12,15,18,21,24-octaazahexacosane-1-yl]carbamoyl]-betaAla-]]